CID 59824670

4-carbamoylfuran-3-carboxylic acid

Structural Information

Molecular Formula
C6H5NO4
SMILES
C1=C(C(=CO1)C(=O)O)C(=O)N
InChI
InChI=1S/C6H5NO4/c7-5(8)3-1-11-2-4(3)6(9)10/h1-2H,(H2,7,8)(H,9,10)
InChIKey
NLWZORAXDVWHPX-UHFFFAOYSA-N
Compound name
4-carbamoylfuran-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

155.02185 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.029126 128.0
[M+Na]+ 178.011068 135.9
[M-H]- 154.014574 131.1
[M+NH4]+ 173.055673 147.9
[M+K]+ 193.985008 136.2
[M+H-H2O]+ 138.019110 122.8
[M+HCOO]- 200.020051 151.4
[M+CH3COO]- 214.035701 173.4
[M+Na-2H]- 175.996516 132.1
[M]+ 155.02130142 127.8
[M]- 155.02239858 127.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe